3-[4-(1-aminoethyl)triazol-1-yl]-N-ethylpropanamide

C9H17N5O — CID 114419407

IUPAC3-[4-(1-aminoethyl)triazol-1-yl]-N-ethylpropanamide
SMILESCCNC(=O)CCn1cc(C(C)N)nn1
InChIInChI=1S/C9H17N5O/c1-3-11-9(15)4-5-14-6-8(7(2)10)12-13-14/h6-7H,3-5,10H2,1-2H3,(H,11,15)
InChIKeyWWMHAIBOFRWPAT-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.18
Rot. Bonds5

About 3-[4-(1-aminoethyl)triazol-1-yl]-N-ethylpropanamide

3-[4-(1-aminoethyl)triazol-1-yl]-N-ethylpropanamide (PubChem CID 114419407) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 3-[4-(1-aminoethyl)triazol-1-yl]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[4-(1-aminoethyl)triazol-1-yl]-N-ethylpropanamide
PubChem CID114419407
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name3-[4-(1-aminoethyl)triazol-1-yl]-N-ethylpropanamide
SMILESCCNC(=O)CCn1cc(C(C)N)nn1
InChIInChI=1S/C9H17N5O/c1-3-11-9(15)4-5-14-6-8(7(2)10)12-13-14/h6-7H,3-5,10H2,1-2H3,(H,11,15)
InChIKeyWWMHAIBOFRWPAT-UHFFFAOYSA-N
XLogP-0.18
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(1-aminoethyl)triazol-1-yl]-N-propan-2-ylpropanamide
CID 114420013
3-[4-(1-aminopropyl)triazol-1-yl]-N-carbamoylpropanamide
CID 106227966
N-ethyl-3-[4-(2-hydroxyethyl)triazol-1-yl]propanamide
CID 62399822
3-[4-(1-aminobutyl)triazol-1-yl]-N-methylpropanamide
CID 106228612
4-[4-(1-aminoethyl)triazol-1-yl]butan-2-ol
CID 114419575
1-[1-(2-aminoethyl)triazol-4-yl]ethanamine
CID 114419716
2-[4-[(1R)-1-aminoethyl]triazol-1-yl]acetic acid
CID 96739590
2-[4-(1-aminoethyl)triazol-1-yl]-N-(5-methylhexan-2-yl)acetamide
CID 114419810
N-(2-acetamidoethyl)-2-[4-(1-aminoethyl)triazol-1-yl]acetamide
CID 114419547
3-[4-(1-aminoethyl)triazol-1-yl]propan-1-amine
CID 114419828
1-[1-(2-methylsulfonylethyl)triazol-4-yl]ethanamine
CID 114419540
1-[1-(2-propylsulfonylethyl)triazol-4-yl]ethanamine
CID 106729351

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-aminoethyl)triazol-1-yl]-N-ethylpropanamide?
The IUPAC name of 3-[4-(1-aminoethyl)triazol-1-yl]-N-ethylpropanamide (CID 114419407) is 3-[4-(1-aminoethyl)triazol-1-yl]-N-ethylpropanamide.
What is the SMILES notation for 3-[4-(1-aminoethyl)triazol-1-yl]-N-ethylpropanamide?
The canonical SMILES for 3-[4-(1-aminoethyl)triazol-1-yl]-N-ethylpropanamide is CCNC(=O)CCn1cc(C(C)N)nn1.
What is the InChIKey of 3-[4-(1-aminoethyl)triazol-1-yl]-N-ethylpropanamide?
The InChIKey is WWMHAIBOFRWPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-3-11-9(15)4-5-14-6-8(7(2)10)12-13-14/h6-7H,3-5,10H2,1-2H3,(H,11,15).
What are the key properties of 3-[4-(1-aminoethyl)triazol-1-yl]-N-ethylpropanamide?
3-[4-(1-aminoethyl)triazol-1-yl]-N-ethylpropanamide has a molecular weight of 211.27 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-aminoethyl)triazol-1-yl]-N-ethylpropanamide is sourced from PubChem (CID 114419407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).